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ALA1784761 Name:
(E)-3-(2-Methoxyphenyl)-1-(4-methyl-2-(methylamino
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Mol. Formula:
C15H16N2O2S
M.W.:
288.37
Type:
Small molecule
AlogP:
3.40
Polar Surface Area:
51.22
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA1784760 Name:
(E)-3-(4-Methoxyphenyl)-1-(4-methyl-2-(methylamino
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Mol. Formula:
C15H16N2O2S
M.W.:
288.37
Type:
Small molecule
AlogP:
3.40
Polar Surface Area:
51.22
HBA:
5
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA1784759 Name:
(E)-3-(2-Chlorophenyl)-1-(4-methyl-2-(methylamino)
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Mol. Formula:
C14H13ClN2OS
M.W.:
292.79
Type:
Small molecule
AlogP:
4.04
Polar Surface Area:
41.99
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA1784758 Name:
(E)-3-(3-Chlorophenyl)-1-(4-methyl-2-(methylamino)
Show More⌵
Mol. Formula:
C14H13ClN2OS
M.W.:
292.79
Type:
Small molecule
AlogP:
4.04
Polar Surface Area:
41.99
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA1784757 Name:
(E)-3-(4-Chlorophenyl)-1-(4-methyl-2-(methylamino)
Show More⌵
Mol. Formula:
C14H13ClN2OS
M.W.:
292.79
Type:
Small molecule
AlogP:
4.04
Polar Surface Area:
41.99
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.68
DETAILS
CLOSE
ALA1784756 Name:
(E)-1-(4-Methyl-2-(methylamino)thiazol-5-yl)-3-(3-
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Mol. Formula:
C14H13N3O3S
M.W.:
303.34
Type:
Small molecule
AlogP:
3.30
Polar Surface Area:
85.13
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA1784755 Name:
(E)-1-(4-Methyl-2-(methylamino)thiazol-5-yl)-3-(4-
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Mol. Formula:
C14H13N3O3S
M.W.:
303.34
Type:
Small molecule
AlogP:
3.30
Polar Surface Area:
85.13
HBA:
6
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.40
DETAILS
CLOSE
ALA1784754 Name:
(E)-1-(4-Methyl-2-(methylamino)thiazol-5-yl)-3-phe
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Mol. Formula:
C14H14N2OS
M.W.:
258.35
Type:
Small molecule
AlogP:
3.39
Polar Surface Area:
41.99
HBA:
4
HBD:
1
#RO5 Violations:
---
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.67
DETAILS
CLOSE
ALA1076888 Name:
6-(4-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2
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Mol. Formula:
C36H22N4
M.W.:
510.60
Type:
Small molecule
AlogP:
8.93
Polar Surface Area:
34.60
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA1076887 Name:
6-(3-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2
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Mol. Formula:
C36H22N4
M.W.:
510.60
Type:
Small molecule
AlogP:
8.93
Polar Surface Area:
34.60
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA1076886 Name:
6-(2-indolo[1,2-c]quinazolin-6-ylphenyl)indolo[1,2
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Mol. Formula:
C36H22N4
M.W.:
510.60
Type:
Small molecule
AlogP:
8.93
Polar Surface Area:
34.60
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.23
DETAILS
CLOSE
ALA1076885 Name:
6-[4-(4-indolo[1,2-c]quinazolin-6-ylphenoxy)phenyl
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Mol. Formula:
C42H26N4O
M.W.:
602.70
Type:
Small molecule
AlogP:
10.72
Polar Surface Area:
43.83
HBA:
5
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.20
DETAILS
CLOSE
ALA1076877 Name:
6-(3-indolo[1,2-c]quinazolin-6-yl-2-naphthyl)indol
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Mol. Formula:
C40H24N4
M.W.:
560.66
Type:
Small molecule
AlogP:
10.08
Polar Surface Area:
34.60
HBA:
4
HBD:
---
#RO5 Violations:
2
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.21
DETAILS
CLOSE
ALA1087503 Name:
6-benzo[b]thiophen-3-ylindolo[1,2-c]quinazoline
Mol. Formula:
C23H14N2S
M.W.:
350.45
Type:
Small molecule
AlogP:
6.52
Polar Surface Area:
17.30
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.33
DETAILS
CLOSE
ALA1087502 Name:
6-(5-Methyl-1H-3-indolyl)indolo[1,2-c]quinazoline
Mol. Formula:
C24H17N3
M.W.:
347.42
Type:
Small molecule
AlogP:
6.10
Polar Surface Area:
33.09
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.38
DETAILS
CLOSE
ALA1087376 Name:
6-(5-Methoxy-1H-3-indolyl)indolo[1,2-c]quinazoline
Mol. Formula:
C24H17N3O
M.W.:
363.42
Type:
Small molecule
AlogP:
5.80
Polar Surface Area:
42.32
HBA:
3
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.42
DETAILS
CLOSE
ALA1088142 Name:
6-(1H-3-indolyl)indolo[1,2-c]quinazoline
Mol. Formula:
C23H15N3
M.W.:
333.39
Type:
Small molecule
AlogP:
5.79
Polar Surface Area:
33.09
HBA:
2
HBD:
1
#RO5 Violations:
1
#Rotatable Bonds:
1
Passes Ro3:
N
QED Weighted:
0.41
DETAILS
CLOSE
ALA1088141 Name:
6-[4-(4-pyridyl)phenyl]indolo[1,2-c]quinazoline
Mol. Formula:
C26H17N3
M.W.:
371.44
Type:
Small molecule
AlogP:
6.37
Polar Surface Area:
30.19
HBA:
3
HBD:
---
#RO5 Violations:
1
#Rotatable Bonds:
2
Passes Ro3:
N
QED Weighted:
0.35
DETAILS
CLOSE
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